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build:optpkgs [2017/05/25 10:20]
Matthieu Verstraete ↷ Links adapted because of a move operation
build:optpkgs [2017/05/25 10:26]
Matthieu Verstraete
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 ===== Overview ===== ===== Overview =====
 +The following list includes plugin libraries which abinit can use to add features (DMFT, Wannier functions...) and interoperability (other pseudopotential formats...). They are listed in alphabetical order, not by order of importance. Several are available as fallbacks for abinit: see the options of the configure script for more details, and some links below on installation procedures.
  
 ===== AtomPAW ===== ===== AtomPAW =====
  
-AtomPAW is a generation library for PAW atomic data sets (like pseudopotentials). It is the reference package to generate datasets for ABINIT, but several others can be used as well.+AtomPAW is a generation library for PAW atomic data sets (like pseudopotentials) ​created by Prof Nathalie Holzwarth and developed in close collaboration with the ABINIT team. It is the reference package to generate datasets for ABINIT, but several others can be used as well.
  
 You can download AtomPAW from its [[http://​users.wfu.edu/​natalie/​papers/​pwpaw/​man.html|Wake Forest University project page]]. You can download AtomPAW from its [[http://​users.wfu.edu/​natalie/​papers/​pwpaw/​man.html|Wake Forest University project page]].
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 Our [[build:​install_levmar|Installing Levmar]] page will give you useful instructions to install Levmar properly and make it work with Abinit. Our [[build:​install_levmar|Installing Levmar]] page will give you useful instructions to install Levmar properly and make it work with Abinit.
  
-===== LibXC =====+===== Libpspio ​=====
  
-LibXC is a library ​implementing almost all known exchange correlation functionals. It is almost ​strict requirement ​for abinit usage - you gain access to many xc approximations,​ metaGGAs and so on: you want this.+Libpspio ​is a library ​for interchange (input and output) of different pseudopotential file formats. It supports ​number of them for many different codes.
  
-You can download ​LibXC from its [[http://www.tddft.org/programs/​octopus/​wiki/index.php/Libxc|Octopus ​wiki page]].+You can download ​Libpspio from its [[https://​launchpad.net/​libpspio|Launchpad project page]] and soon from its [[http://esl.cecam.org/mediawiki/index.php/Libpspio|ESL wiki page]].
  
-Our [[build:install_libxc|Installing ​LibXC]] page will give you useful instructions to install ​LibXC properly and make it work with Abinit. +Our [[build:install_libpspio|Installing ​Libpspio]] page will give you useful instructions to install ​Libpspio ​properly and make it work with Abinit.
- +
-===== NetCDF ===== +
- +
-NetCDF is a binary portable file format used for many outputs of abinit. It is strongly recommended to use it for portability,​ flexibility,​ and inter-operability with other codes and post-processing tools, e.g. [[https://​github.com/​abinit/​abipy|abipy]]. NetCDF4/​HDF5 will soon be a requirement (2017?) and NetCDF 3 deprecated. +
- +
-You can download NetCDF from its [[http://​www.unidata.ucar.edu/​software/​netcdf/​|Unidata page]]. +
- +
-Our [[build:​install_netcdf|Installing NetCDF]] page will give you useful instructions to install NetCDF ​properly and make it work with Abinit.+
  
 ===== PAPI ===== ===== PAPI =====
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 Our [[build:​install_yaml|Installing YAML]] page will give you useful instructions to install YAML properly and make it work with Abinit. Our [[build:​install_yaml|Installing YAML]] page will give you useful instructions to install YAML properly and make it work with Abinit.
- 
-===== Libpspio ===== 
- 
-Libpspio is a library for interchange (input and output) of different pseudopotential file formats. It supports a number of them for many different codes. 
- 
-You can download Libpspio from its [[https://​launchpad.net/​libpspio|Launchpad project page]] and soon from its [[http://​esl.cecam.org/​mediawiki/​index.php/​Libpspio|ESL wiki page]]. 
- 
-Our [[build:​install_libpspio|Installing Libpspio]] page will give you useful instructions to install Libpspio properly and make it work with Abinit. 
  
build/optpkgs.txt · Last modified: 2020/08/10 12:22 by Xavier Gonze